Di-tert-butylchlorophosphine - ≥96% , CAS No.13716-10-4

CAS: 13716-10-4 Cat. No.: D102034 Molecular Weight: 180.66 EC Number: 604-003-3

GRADE & PURITY ≥96%

Synonyms

AKOS015910830 | di-tert-butyl(chloro)phosphane | ditert-butyl(chloro)phosphane | D3632 | SCHEMBL56815 | A807201 | ditert-butyl(chloranyl)phosphane | STR09770 | Undecanoic acid, 4-hydroxy-, .gamma.-lactone | BB 0221063 | Phosphinous chloride, di-tert-butyl

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Bulky ligand used with Pd(OAc)2 in efficient Suzuki-Miyaura cross-couplings of arylboronic acids with aryl bromides and chlorides.

Specifications

Synonyms

AKOS015910830 | di-tert-butyl(chloro)phosphane | ditert-butyl(chloro)phosphane | D3632 | SCHEMBL56815 | A807201 | ditert-butyl(chloranyl)phosphane | STR09770 | Undecanoic acid, 4-hydroxy-, .gamma.-lactone | BB 0221063 | Phosphinous chloride, di-tert-butyl

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CC(C)(C)P(C(C)(C)C)Cl
• IUPAC Name: ditert-butyl(chloro)phosphane
• InChIKey: MCRSZLVSRGTMIH-UHFFFAOYSA-N
• INCHI: 1S/C8H18ClP/c1-7(2,3)10(9)8(4,5)6/h1-6H3
• Isomeric SMILES: CC(C)(C)P(C(C)(C)C)Cl
• WGK Germany: 3
• UN Number: 3265
• Packing Group: II
• Molecular Weight: 180.66
• Reaxy-Rn: 1847423
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1847423&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Alkylhalophosphines

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Alkylhalophosphines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylhalophosphines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylhalophosphine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylhalophosphines. These are organophosphorus compounds with the general formula RPX2 or R2PX (R=alkyl, X=halogen).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Miscible with terahydrofuran.
• Sensitivity: Air & Moisture sensitive.
• Refractive Index: 1.48
• Flash Point(°F): 143.6 °F
• Flash Point(°C): 62 °C
• Boil Point(°C): 48°C/3mmHg
• Melt Point(°C): 3°C
• Molecular Weight: 180.650 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 180.083 Da
• Monoisotopic Mass: 180.083 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1